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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03168974

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
BDBA,B1KE30.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
N4BN-BUTYLBENZENEA186L0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
I4BISOBUTYLBENZENEA184L0.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
FPRPROPYLBENZENEC1RHK0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
DENINDENEA183L0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
2HT3-methylbenzonitrileA,B3F880.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.81
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72